[(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate

C9H17NS2 — CID 10584322

IUPAC[(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate
SMILESCCCC/C=C\SC(=S)N(C)C
InChIInChI=1S/C9H17NS2/c1-4-5-6-7-8-12-9(11)10(2)3/h7-8H,4-6H2,1-3H3/b8-7-
InChIKeyVHRUTFRWQDJVAY-FPLPWBNLSA-N
MW203.38 g/mol
LogP3.27
Rot. Bonds4

About [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate

[(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate (PubChem CID 10584322) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate
PubChem CID10584322
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name[(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate
SMILESCCCC/C=C\SC(=S)N(C)C
InChIInChI=1S/C9H17NS2/c1-4-5-6-7-8-12-9(11)10(2)3/h7-8H,4-6H2,1-3H3/b8-7-
InChIKeyVHRUTFRWQDJVAY-FPLPWBNLSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-oct-1-enyl] N,N-diethylcarbamodithioate
CID 132502474
1-Ethyl-2-propenyl dimethyldithiocarbamate
CID 24975957
1-Methyl-2-propenyl dimethyldithiocarbamate
CID 24977332
(2E)-2-heptenyl dimethyldithiocarbamate
CID 24977334
1-Pentyl-2-propenyl dimethyldithiocarbamate
CID 24977376
(2E)-2-octenyl dimethyldithiocarbamate
CID 24977377

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate (CID 10584322) is [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate is CCCC/C=C\SC(=S)N(C)C.
What is the InChIKey of [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate?
The InChIKey is VHRUTFRWQDJVAY-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17NS2/c1-4-5-6-7-8-12-9(11)10(2)3/h7-8H,4-6H2,1-3H3/b8-7-.
What are the key properties of [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate?
[(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate has a molecular weight of 203.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-1-enyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 10584322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).